Geometry & MOs

Info

ID:

88491

PubChem CID:

49903848

Reduced:

SCl2N2O6H14C24 (1)

Stoich.:

AB2C2D6E14F24 (1)

Weight, g/mol:

564.112185

ΔHf, kcal/mol:

-85.74

Dipole, Da:

5.82

IP(EA), eV:

 -9.46(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations